期刊
JOURNAL OF PHYSICAL CHEMISTRY B
卷 105, 期 17, 页码 3470-3474出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp003435h
关键词
-
Ab initio molecular orbital theory was used to examine the physisorption of a hydrogen molecule on planar and curved graphene clusters. The repulsive nature of a H-2-H-2 interaction and the small dependence of physisorption energies on physisorption sites favor a close-packed structure for molecular hydrogen physisorption on a planar graphene. It was also found that the physisorption energies are significantly increased on curved graphenes.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据